(7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

C22H21F3N2O4 — CID 122623057

IUPAC(7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESO=C(c1ccc2c(c1)C[C@]1(CCNC1=O)CC2)N(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H21F3N2O4/c23-22(24,25)31-18-5-1-14(2-6-18)13-27(30)19(28)16-4-3-15-7-8-21(12-17(15)11-16)9-10-26-20(21)29/h1-6,11,30H,7-10,12-13H2,(H,26,29)/t21-/m1/s1
InChIKeyQDGCKJJLVVGEBO-OAQYLSRUSA-N
MW434.41 g/mol
LogP3.61
Rot. Bonds4

About (7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

(7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (PubChem CID 122623057) has the molecular formula C22H21F3N2O4 and a molecular weight of 434.41 g/mol. Its IUPAC name is (7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
PubChem CID122623057
Molecular FormulaC22H21F3N2O4
Molecular Weight434.41 g/mol
Exact Mass434.15
IUPAC Name(7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESO=C(c1ccc2c(c1)C[C@]1(CCNC1=O)CC2)N(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H21F3N2O4/c23-22(24,25)31-18-5-1-14(2-6-18)13-27(30)19(28)16-4-3-15-7-8-21(12-17(15)11-16)9-10-26-20(21)29/h1-6,11,30H,7-10,12-13H2,(H,26,29)/t21-/m1/s1
InChIKeyQDGCKJJLVVGEBO-OAQYLSRUSA-N
XLogP3.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(7S)-N-[(3-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122622966
(6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624532
7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one
CID 122634837
(6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624614
(6R)-N-hydroxy-2'-oxo-N-quinolin-3-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624596
(6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
CID 122624658
(7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
CID 122622976
(7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619573
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010507
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
N-benzyl-N-propyl-4-(trifluoromethoxy)benzamide
CID 71026261
4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 38545760

Frequently Asked Questions

What is the IUPAC name of (7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (CID 122623057) is (7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is O=C(c1ccc2c(c1)C[C@]1(CCNC1=O)CC2)N(O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The InChIKey is QDGCKJJLVVGEBO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21F3N2O4/c23-22(24,25)31-18-5-1-14(2-6-18)13-27(30)19(28)16-4-3-15-7-8-21(12-17(15)11-16)9-10-26-20(21)29/h1-6,11,30H,7-10,12-13H2,(H,26,29)/t21-/m1/s1.
What are the key properties of (7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
(7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide has a molecular weight of 434.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122623057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).